(2,6-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2,6-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2,6-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2,6-dimethylphenyl) ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21NO4S/c1-14-7-5-8-15(2)18(14)24-19(21)16-9-6-10-17(13-16)25(22,23)20-11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3